CAS RN: 113558-14-8
IKARISOSIDE F
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250630 | 10mg | Out of stock | Inquiry |
- Product code: starshine_CAS113558-14-8
- Purity/Analytical Methods: >99.0%
113558-14-8 / 3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
AKOS032962091
Basic Information
CAS
113558-14-8
Multi CAS
Yes
Molecular Formula
C31H36O14
Molecular Weight
632.600000
Exact Mass
632.210506
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)C4=CC=C(C=C4)O)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)O
InChI
InChI=1S/C31H36O14/c1-12(2)4-9-16-17(33)10-18(34)20-23(38)28(26(43-27(16)20)14-5-7-15(32)8-6-14)44-31-29(24(39)21(36)13(3)42-31)45-30-25(40)22(37)19(35)11-41-30/h4-8,10,13,19,21-22,24-25,29-37,39-40H,9,11H2,1-3H3/t13-,19+,21-,22-,24+,25+,29+,30-,31-/m0/s1
InChIKey
ASPIQZXMZNLGRL-NPFMWIEOSA-N
Synonyms
AKOS032962091
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
16
Fraction Csp3
0.45
Rotatable bonds
7
H-bond acceptors
14
H-bond donors
8
Molar refractivity
155.66
TPSA
228.97
LogP / Solubility
WLOGP
0.76
MLOGP
0.72
XLogP3
1.6
Consensus LogP
1.03
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.04
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9.5
Customers Also Viewed
-
-
N-[4-[[1-[2-(6-METHYL-2-PYRIDINYL)ETHYL]-4-PIPERIDINYL]CARBONYL]PHENYL]METHANESULFONAMIDE DIHYDROCHLORIDE
- CAS RN: 113558-89-7
- Product Code: starshine_CAS113558-89-7
- Purity/Analytical method: >99.0%
-
E-4031
- CAS RN: 113559-13-0
- Product Code: starshine_CAS113559-13-0
- Purity/Analytical method: >99.0%
-
4-(5-chloro-1H-benzo[d]imidazol-2-yl)phenol
- CAS RN: 113561-60-7
- Product Code: starshine_CAS113561-60-7
- Purity/Analytical method: >99.0%
-
2H-PYRIDO[1,2-A]PYRAZINE, OCTAHYDRO-, DIHYDROCHLORIDE
- CAS RN: 113570-68-6
- Product Code: SSC-013667
-
![CAS 113558-89-7 N-[4-[[1-[2-(6-METHYL-2-PYRIDINYL)ETHYL]-4-PIPERIDINYL]CARBONYL]PHENYL]METHANESULFONAMIDE DIHYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/113558-89-7.gif)
![CAS 113561-60-7 4-(5-chloro-1H-benzo[d]imidazol-2-yl)phenol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/113561-60-7.gif)
![CAS 113570-68-6 2H-PYRIDO[1,2-A]PYRAZINE, OCTAHYDRO-, DIHYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/113570-68-6.gif)
